SCHEMBL3052841

SCHEMBL3052841

COc1cc2c(cc1S(N)(=O)=O)CCN(C(=O)c1cc(OC)c(OC)c(OC)c1)C2

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.64
CA9 Q16790 4/20 0.64
CA1 P00915 3/20 0.64
CA7 P43166 3/20 0.64
CA14 Q9ULX7 3/20 0.64
MAPK1 P28482 1/20 0.59
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
ATM Q13315 1/20 0.54
ABCB1 P08183 1/20 0.53
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
POLB P06746 1/20 0.51
HSD17B10 Q99714 1/20 0.51
PDE4B Q07343 2/20 0.49
PDE4D Q08499 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3048798 0.89 CA1 (0.64) CA2CA9CA1CA7CA14
SCHEMBL3045923 0.86 CA1 (0.72) CA2CA9CA1CA7CA14
SCHEMBL3054722 0.85 MAPK1 (0.65) CA2CA9CA1CA7CA14
SCHEMBL3056638 0.83 PDE4B (0.65) CA2CA9CA1CA7CA14
SCHEMBL3049295 0.81 KDM4E (0.64) CA2CA9CA1CA7CA14
SCHEMBL10350881 0.80 CA7 (0.53) CA2CA9CA1CA7CA14
SCHEMBL3055432 0.78 CA9 (0.61) CA2CA9CA1CA7CA14
SCHEMBL3064371 0.76 CA9 (0.76) CA2CA9CA7KMT2AMEN1
SCHEMBL3041866 0.74 KMT2A (0.62) MAPK1KMT2AMEN1ABCB1ALDH1A1
SCHEMBL3057847 0.73 MAPK1 (0.62) CA2CA9CA1CA7CA14

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394825-B2 Compound STERIX LIMITED (GB) 2013-03-12 US claimed
US-20100222299-A1 COMPOUND STERIX LIMITED (GB) 2010-09-02 US claimed
EP-2155192-B1 TETRAHYDROISOQUINOLINES AS TUMOUR GROWTH INHIBITORS STERIX LTD (GB) 2016-09-28 EP disclosed
US-8394825-B2 Compound STERIX LIMITED (GB) 2013-03-12 US disclosed
US-20100222299-A1 COMPOUND STERIX LIMITED (GB) 2010-09-02 US disclosed
EP-2155192-A2 TETRAHYDROISOQUINOLINES AS TUMOUR GROWTH INHIBITORS Sterix Limited (GB) 2010-02-24 EP disclosed
WO-2008117061-A2 TETRAHYDROISOQUINOLINES AS TUMOUR GROWTH INHIBITORS STERIX LIMITED (GB) 2008-10-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100222299-A1 COMPOUND MKI67, VHL, MYC CA2 1077/4885CA9 1002/4885CA1 1200/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.